Python package for 3D joint hypocenter-velocity inversion on tetrahedral meshes: Parallel implementation and practical considerations

Author(s):  
Maher Nasr ◽  
Bernard Giroux ◽  
J. Christian Dupuis
2019 ◽  
Author(s):  
Ziqi Li ◽  
Alexander Stewart Fotheringham

Geographically Weighted Regression (GWR) has been broadly used in various fields to model spatially non-stationary relationships. Multi-scale Geographically Weighted Regression (MGWR) is a recent advancement to the classic GWR model. MGWR is superior in capturing multi-scale processes over the traditional single-scale GWR model by using different bandwidths for each covariate. However, the multiscale property of MGWR brings additional computation costs. The calibration process of MGWR involves iterative back-fitting under the additive model (AM) framework. Currently, MGWR can only be applied on small datasets within a tolerable time and is prohibitive on moderately large datasets (greater than 5,000 observations). In this paper, we propose a parallel implementation that has crucial computational improvements to MGWR calibration. This improved computational method reduces both memory footprint and runtime to allow MGWR modelling to be applied to moderate-to-large datasets (up to 100,000 observations). These improvements are integrated into the mgwr python package and MGWR 2.0 software, both of which are freely available to download.


2019 ◽  
Author(s):  
Frédéric Célerse ◽  
Louis Lagardere ◽  
Étienne Derat ◽  
Jean-Philip Piquemal

This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.


2019 ◽  
Author(s):  
Frédéric Célerse ◽  
Louis Lagardere ◽  
Étienne Derat ◽  
Jean-Philip Piquemal

This paper is dedicated to the massively parallel implementation of Steered Molecular Dynamics in the Tinker-HP softwtare. It allows for direct comparisons of polarizable and non-polarizable simulations of realistic systems.


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